methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate

C11H10BrFO2 — CID 171487907

IUPACmethyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1c(F)cc(Br)c2c1CCC2
InChIInChI=1S/C11H10BrFO2/c1-15-11(14)10-7-4-2-3-6(7)8(12)5-9(10)13/h5H,2-4H2,1H3
InChIKeyKJLADQSOQVFWEG-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.86
Rot. Bonds1

About methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate

methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 171487907) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID171487907
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Namemethyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1c(F)cc(Br)c2c1CCC2
InChIInChI=1S/C11H10BrFO2/c1-15-11(14)10-7-4-2-3-6(7)8(12)5-9(10)13/h5H,2-4H2,1H3
InChIKeyKJLADQSOQVFWEG-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 166077596
methyl 2-bromo-4,6-difluorobenzoate
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CID 131537933
methyl 6-bromo-2,4-difluoro-3-methoxybenzoate
CID 118189517
methyl 1,3-difluoro-5-hydroxy-8,9-dihydro-7H-benzo[7]annulene-2-carboxylate
CID 163262409
dimethyl 2,6-dibromobenzene-1,4-dicarboxylate
CID 23245049
methyl 2,6-dibromo-3-fluorobenzoate
CID 121228063
methyl 2,3,4-trichloro-6-fluorobenzoate
CID 166638354
methyl 2-fluoro-4,6-diiodobenzoate
CID 130766583
methyl 2,3-dibromo-6-fluorobenzoate
CID 121228061
CID 177341321
CID 177341321
methyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 66545209

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate (CID 171487907) is methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate is COC(=O)c1c(F)cc(Br)c2c1CCC2.
What is the InChIKey of methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is KJLADQSOQVFWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c1-15-11(14)10-7-4-2-3-6(7)8(12)5-9(10)13/h5H,2-4H2,1H3.
What are the key properties of methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 273.10 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-5-fluoro-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 171487907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).